SCHEMBL4278043

SCHEMBL4278043

COC(=O)c1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.52
NOTUM Q6P988 1/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RBP4 P02753 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
RAF1 P04049 1/20 0.49
NTRK1 P04629 1/20 0.49
BRAF P15056 1/20 0.49
DDR1 Q08345 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2771812 0.88 KDM4E (0.65) NOTUMKDM4EALDH1A1NPC1RAB9A
SCHEMBL2771499 0.86 SMN1; SMN2 (0.62) NOTUMKDM4EALDH1A1NPC1RAB9A
SCHEMBL1481753 0.86 DDR1 (0.52) NOTUMKDM4EALDH1A1NPC1RAB9A
SCHEMBL3533360 0.85 TTR (0.59) KDM4EALDH1A1RBP4RAF1NTRK1
SCHEMBL1480130 0.84 NOTUM (0.46) NOTUMKDM4EALDH1A1NPC1RAB9A
SCHEMBL31003567 0.84 KDM4E (0.48) KDM4EALDH1A1RAF1NTRK1BRAF
Hydrochloric Acid SCHEMBL4285100 0.84 TTR (0.57) KDM4EALDH1A1RBP4RAF1NTRK1
SCHEMBL16380654 0.84 KDM4E (0.66) KDM4EALDH1A1
SCHEMBL7971528 0.83 KMT2A (0.66) KDM4EALDH1A1TSHRNPC1RBP4
SCHEMBL7985451 0.83 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2RBP4NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023191400-A1 ETHYL PIPERIDINE TRIAZOLO TRIAZINE DERIVATIVES, SYNTHESIS METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME FOR PREVENTION OR TREATMENT OF CANCER 에이치케이이노엔 주식회사 2023-10-05 WO disclosed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
EP-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 EP disclosed
EP-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 EP disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS MAP3K19, CDK2, MAP3K1 WDR5 3189/4885NOTUM 4044/4885KDM4E 1694/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.